ethyl 4-cyano-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-4-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-cyano-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-4-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-(tert-butoxycarbonylamino)-4-cyano-2-methyl-5-oxo-4-phenyl-pyrrole-3-carboxylate CAS Name: 4-cyano-2-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxo-4-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-phenylpyrrole-3-carboxylate Traditional Name: 1-(tert-butoxycarbonylamino)-4-cyano-5-keto-2-methyl-4-phenyl-2-pyrroline-3-carboxylic acid ethyl ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1(C#N)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1(C#N)C2=CC=CC=C2)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H23N3O5/c1-6-27-16(24)15-13(2)23(22-18(26)28-19(3,4)5)17(25)20(15,12-21)14-10-8-7-9-11-14/h7-11H,6H2,1-5H3,(H,22,26)